(3S)-3-(1H-indazol-7-ylmethylamino)-N-propan-2-ylbutanamide

C15H22N4O — CID 97002410

IUPAC(3S)-3-(1H-indazol-7-ylmethylamino)-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)C[C@H](C)NCc1cccc2cn[nH]c12
InChIInChI=1S/C15H22N4O/c1-10(2)18-14(20)7-11(3)16-8-12-5-4-6-13-9-17-19-15(12)13/h4-6,9-11,16H,7-8H2,1-3H3,(H,17,19)(H,18,20)/t11-/m0/s1
InChIKeyLXGXZUOQWUUOOT-NSHDSACASA-N
MW274.37 g/mol
LogP1.96
Rot. Bonds6

About (3S)-3-(1H-indazol-7-ylmethylamino)-N-propan-2-ylbutanamide

(3S)-3-(1H-indazol-7-ylmethylamino)-N-propan-2-ylbutanamide (PubChem CID 97002410) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is (3S)-3-(1H-indazol-7-ylmethylamino)-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name(3S)-3-(1H-indazol-7-ylmethylamino)-N-propan-2-ylbutanamide
PubChem CID97002410
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name(3S)-3-(1H-indazol-7-ylmethylamino)-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)C[C@H](C)NCc1cccc2cn[nH]c12
InChIInChI=1S/C15H22N4O/c1-10(2)18-14(20)7-11(3)16-8-12-5-4-6-13-9-17-19-15(12)13/h4-6,9-11,16H,7-8H2,1-3H3,(H,17,19)(H,18,20)/t11-/m0/s1
InChIKeyLXGXZUOQWUUOOT-NSHDSACASA-N
XLogP1.96
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-indazol-7-ylmethylamino)-1-thiophen-2-ylbutan-1-ol
CID 86781542
N-(1H-indazol-7-ylmethyl)-2-methylpropan-1-amine
CID 115684234
1H-indazol-7-ylmethyl 2-methylbutanoate
CID 56807063
N-(1H-indazol-7-yl)-2-methylpropanamide
CID 31817153
7-(2-methylpropyl)-1H-indazole
CID 167194868
(2R,5S)-N-(1H-indazol-7-ylmethyl)-2-methyl-4,7-dioxo-5-(3-phenylpropanoylamino)-7-pyrrolidin-1-ylheptanamide
CID 162292400
3-(furan-2-ylmethylamino)-N-propan-2-ylbutanamide
CID 115655784
methyl 2-amino-2-(1H-indazol-7-yl)acetate
CID 131276192
2-(4-fluorophenyl)-N-[2-(1H-indazol-7-ylmethylamino)ethyl]acetamide
CID 75377637
N-(1H-indazol-7-ylmethyl)-3-propan-2-yloxypropan-1-amine
CID 71923123
N-(1H-indazol-7-ylmethyl)-N-methylhydroxylamine
CID 96741733
N-(1H-indazol-7-ylmethyl)cyclopropanamine
CID 115678445

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(1H-indazol-7-ylmethylamino)-N-propan-2-ylbutanamide?
The IUPAC name of (3S)-3-(1H-indazol-7-ylmethylamino)-N-propan-2-ylbutanamide (CID 97002410) is (3S)-3-(1H-indazol-7-ylmethylamino)-N-propan-2-ylbutanamide.
What is the SMILES notation for (3S)-3-(1H-indazol-7-ylmethylamino)-N-propan-2-ylbutanamide?
The canonical SMILES for (3S)-3-(1H-indazol-7-ylmethylamino)-N-propan-2-ylbutanamide is CC(C)NC(=O)C[C@H](C)NCc1cccc2cn[nH]c12.
What is the InChIKey of (3S)-3-(1H-indazol-7-ylmethylamino)-N-propan-2-ylbutanamide?
The InChIKey is LXGXZUOQWUUOOT-NSHDSACASA-N. The full InChI is InChI=1S/C15H22N4O/c1-10(2)18-14(20)7-11(3)16-8-12-5-4-6-13-9-17-19-15(12)13/h4-6,9-11,16H,7-8H2,1-3H3,(H,17,19)(H,18,20)/t11-/m0/s1.
What are the key properties of (3S)-3-(1H-indazol-7-ylmethylamino)-N-propan-2-ylbutanamide?
(3S)-3-(1H-indazol-7-ylmethylamino)-N-propan-2-ylbutanamide has a molecular weight of 274.37 g/mol, XLogP of 1.96, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(1H-indazol-7-ylmethylamino)-N-propan-2-ylbutanamide is sourced from PubChem (CID 97002410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).